3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide

C15H17N3O3 — CID 9158633

IUPAC3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C15H17N3O3/c1-4-12-13(9(2)21-18-12)15(20)17-11-7-5-10(6-8-11)14(19)16-3/h5-8H,4H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyKCCRWTPXQVWQCY-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.16
Rot. Bonds4

About 3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 9158633) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID9158633
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C15H17N3O3/c1-4-12-13(9(2)21-18-12)15(20)17-11-7-5-10(6-8-11)14(19)16-3/h5-8H,4H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyKCCRWTPXQVWQCY-UHFFFAOYSA-N
XLogP2.16
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9040097
N-(3-chloro-4-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9068463
3-ethyl-5-methyl-N-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 51125656
N-[4-(4-bromophenyl)sulfanylphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18274326
3-ethyl-N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 30790659
3-ethyl-5-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 9479423
2-[5-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339195
3-ethyl-5-methyl-N-(4-methyl-3-nitrophenyl)-1,2-oxazole-4-carboxamide
CID 29201390
3-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 17070736
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 26285878
3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 6468193

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide (CID 9158633) is 3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ccc(C(=O)NC)cc1.
What is the InChIKey of 3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is KCCRWTPXQVWQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-4-12-13(9(2)21-18-12)15(20)17-11-7-5-10(6-8-11)14(19)16-3/h5-8H,4H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[4-(methylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9158633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).